Vitas-M small molecule compound

propyl 2,7,7-trimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK025973
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C20H25NO3S MW 359.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO3S/c1-5-8-24-19(23)16-12(2)21-13-10-20(3,4)11-14(22)17(13)18(16)15-7-6-9-25-15/h6-7,9,18,21H,5,8,10-11H2,1-4H3
InChIKey
DJNSUGRTXHCBLI-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C
CCCOC(=O)C1=C(NC2=C(C1C3=CC=CS3)C(=O)CC(C2)(C)C)C
InChI=1SC20H25NO3Sc1582419(23)1612(2)21131020(34)1114(22)17(13)18(16)157692515h6791821H581011H214H3
MFCD00770923
propyl277trimethyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
propyl277trimethyl5oxo4thiophen2yl1468tetrahydroquinoline3carboxylate
STK025973
ZINC000002775380
ZINC000002775381

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.